benzyl-bromo-dimethyl-pentyl-λ5-phosphane

C14H24BrP — CID 140527604

IUPACbenzyl-bromo-dimethyl-pentyl-λ5-phosphane
SMILESCCCCCP(C)(C)(Br)Cc1ccccc1
InChIInChI=1S/C14H24BrP/c1-4-5-9-12-16(2,3,15)13-14-10-7-6-8-11-14/h6-8,10-11H,4-5,9,12-13H2,1-3H3
InChIKeySWYAFDLEPFZJQN-UHFFFAOYSA-N
MW303.22 g/mol
LogP5.50
Rot. Bonds6

About benzyl-bromo-dimethyl-pentyl-λ5-phosphane

benzyl-bromo-dimethyl-pentyl-λ5-phosphane (PubChem CID 140527604) has the molecular formula C14H24BrP and a molecular weight of 303.22 g/mol. Its IUPAC name is benzyl-bromo-dimethyl-pentyl-λ5-phosphane.

Molecular Properties

Compound Namebenzyl-bromo-dimethyl-pentyl-λ5-phosphane
PubChem CID140527604
Molecular FormulaC14H24BrP
Molecular Weight303.22 g/mol
Exact Mass302.08
IUPAC Namebenzyl-bromo-dimethyl-pentyl-λ5-phosphane
SMILESCCCCCP(C)(C)(Br)Cc1ccccc1
InChIInChI=1S/C14H24BrP/c1-4-5-9-12-16(2,3,15)13-14-10-7-6-8-11-14/h6-8,10-11H,4-5,9,12-13H2,1-3H3
InChIKeySWYAFDLEPFZJQN-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.22
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

benzyl-bromo-dodecyl-dimethyl-λ5-phosphane
CID 139702290
dibenzyl-bromo-didodecyl-λ5-phosphane
CID 140528034
benzyl-chloro-dimethyl-nonyl-λ5-phosphane
CID 140527849
dibenzyl-chloro-diheptyl-λ5-phosphane
CID 140527552
trimethyl-pentyl-phenyl-λ5-phosphane
CID 141147605
bromo-decyl-triphenyl-lambda5-phosphane
CID 13370783
benzyl-ethenyl-trioctyl-λ5-phosphane;hydrochloride
CID 173028038
bromo-ethyl-dimethyl-tetradecyl-λ5-phosphane
CID 139700828
hexakis(decane);ethylbenzene
CID 173398562
3-[bromo-(2-hydroxyethyl)-octyl-(3-phenylpropyl)-λ5-phosphanyl]propan-1-ol
CID 139658554
octacosylbenzene
CID 14228596
octylbenzene
CID 16607

Frequently Asked Questions

What is the IUPAC name of benzyl-bromo-dimethyl-pentyl-λ5-phosphane?
The IUPAC name of benzyl-bromo-dimethyl-pentyl-λ5-phosphane (CID 140527604) is benzyl-bromo-dimethyl-pentyl-λ5-phosphane.
What is the SMILES notation for benzyl-bromo-dimethyl-pentyl-λ5-phosphane?
The canonical SMILES for benzyl-bromo-dimethyl-pentyl-λ5-phosphane is CCCCCP(C)(C)(Br)Cc1ccccc1.
What is the InChIKey of benzyl-bromo-dimethyl-pentyl-λ5-phosphane?
The InChIKey is SWYAFDLEPFZJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrP/c1-4-5-9-12-16(2,3,15)13-14-10-7-6-8-11-14/h6-8,10-11H,4-5,9,12-13H2,1-3H3.
What are the key properties of benzyl-bromo-dimethyl-pentyl-λ5-phosphane?
benzyl-bromo-dimethyl-pentyl-λ5-phosphane has a molecular weight of 303.22 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-bromo-dimethyl-pentyl-λ5-phosphane is sourced from PubChem (CID 140527604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).